3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol

C15H9Cl2FN2O — CID 136996138

IUPAC3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Cl2FN2O/c16-11-2-1-3-13(14(11)17)19-7-10-9-6-8(18)4-5-12(9)20-15(10)21/h1-7,20-21H/b19-7+
InChIKeyNIUVQYSGPDJFKY-FBCYGCLPSA-N
MW323.15 g/mol
LogP5.07
Rot. Bonds2

About 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol

3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol (PubChem CID 136996138) has the molecular formula C15H9Cl2FN2O and a molecular weight of 323.15 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
PubChem CID136996138
Molecular FormulaC15H9Cl2FN2O
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C15H9Cl2FN2O/c16-11-2-1-3-13(14(11)17)19-7-10-9-6-8(18)4-5-12(9)20-15(10)21/h1-7,20-21H/b19-7+
InChIKeyNIUVQYSGPDJFKY-FBCYGCLPSA-N
XLogP5.07
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.15
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135604974
3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
CID 136996051
6-chloro-3-[(3-chloro-2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006440
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
CID 137006340
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
methyl 2-[(5-chloro-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 136996242
5-chloro-3-[(2,3-dichlorophenyl)diazenyl]-1H-indol-2-ol
CID 136867697
6-chloro-3-[(2,6-difluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006510
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006298
5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol (CID 136996138) is 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1/C=N/c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
The InChIKey is NIUVQYSGPDJFKY-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O/c16-11-2-1-3-13(14(11)17)19-7-10-9-6-8(18)4-5-12(9)20-15(10)21/h1-7,20-21H/b19-7+.
What are the key properties of 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol?
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol has a molecular weight of 323.15 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol is sourced from PubChem (CID 136996138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).